Holly Judge and Arno Proeme present an overview of the parallel performance of (GROMACS+)CP2K for QM/MM simulation of biomolecular systems
Pentameric ligand-gated ion channels (pLGICs) perform electrochemical signal transduction in [...]
Dr Anthony Nash is a Senior Research Scientist at the [...]
Dmitry Morozov and Mirko Paulikat present QM/MM simulation approaches for fluorescent proteins and proton dynamics in bioanalytical mass spectrometry
Mutations in the kinase domain of the Epidermal Growth Factor [...]
The 2022 BioExcel School included lectures and hands-on sessions on topics [...]
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BioExcel is funded by the European Union Horizon 2020 program under grant agreements 823830, 675728 and by the EuroHPC Joint Undertaking and Sweden, Netherlands, Germany, Spain, Finland and Norway under grant agreement 101093290